[2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)ethanoate

Systemtic Name: [2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)ethanoate Openeye Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxo-ethyl] 2-(furan-2-carbonylamino)acetate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]acetic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate Traditional Name: 2-(2-furoylamino)acetic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

C1=COC(=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrN2O5S/c22-14-3-7-16(8-4-14)30-17-9-5-15(6-10-17)24-19(25)13-29-20(26)12-23-21(27)18-2-1-11-28-18/h1-11H,12-13H2,(H,23,27)(H,24,25)